REMARK Name = BDB046861 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ASP A 7 2.790 0.956 0.810 0.00 0.00 +0.170 C ENDROOT BRANCH 1 2 ATOM 2 C ASP A 7 3.087 1.748 -0.474 0.00 0.00 +0.237 C ATOM 3 N PRO A 8 3.260 3.104 -0.378 0.00 0.00 -0.288 N ATOM 4 CA PRO A 8 3.845 3.830 -1.501 0.00 0.00 +0.162 C ATOM 5 CB PRO A 8 3.704 5.304 -1.118 0.00 0.00 +0.033 C ATOM 6 CG PRO A 8 2.487 5.310 -0.199 0.00 0.00 +0.021 C ATOM 7 CD PRO A 8 2.622 4.006 0.571 0.00 0.00 +0.109 C ATOM 8 O ASP A 7 3.311 1.149 -1.531 0.00 0.00 -0.274 OA BRANCH 4 9 ATOM 9 C PRO A 8 5.336 3.442 -1.654 0.00 0.00 +0.234 C ATOM 10 N ASN A 9 5.847 3.684 -2.907 0.00 0.00 -0.302 N ATOM 11 H ASN A 9 5.228 3.997 -3.645 0.00 0.00 +0.150 HD ATOM 12 O PRO A 8 6.019 2.993 -0.727 0.00 0.00 -0.274 OA BRANCH 10 13 ATOM 13 CA ASN A 9 7.255 3.535 -3.281 0.00 0.00 +0.168 C BRANCH 13 14 ATOM 14 C ASN A 9 7.738 2.066 -3.246 0.00 0.00 +0.234 C ATOM 15 N ARG A 10 8.095 1.607 -2.001 0.00 0.00 -0.302 N ATOM 16 H ARG A 10 7.716 2.122 -1.200 0.00 0.00 +0.150 HD ATOM 17 O ASN A 9 7.802 1.380 -4.266 0.00 0.00 -0.274 OA BRANCH 15 18 ATOM 18 CA ARG A 10 8.643 0.284 -1.676 0.00 0.00 +0.159 C BRANCH 18 19 ATOM 19 C ARG A 10 9.204 0.419 -0.235 0.00 0.00 +0.234 C ATOM 20 N LYS A 11 10.094 -0.539 0.180 0.00 0.00 -0.302 N ATOM 21 H LYS A 11 10.312 -1.350 -0.396 0.00 0.00 +0.150 HD ATOM 22 O ARG A 10 8.833 1.321 0.517 0.00 0.00 -0.274 OA BRANCH 20 23 ATOM 23 CA LYS A 11 10.959 -0.366 1.351 0.00 0.00 +0.159 C BRANCH 23 24 ATOM 24 C LYS A 11 11.563 -1.757 1.647 0.00 0.00 +0.237 C ATOM 25 N PRO A 12 11.992 -2.013 2.933 0.00 0.00 -0.288 N ATOM 26 CA PRO A 12 12.821 -3.170 3.252 0.00 0.00 +0.162 C ATOM 27 CB PRO A 12 12.149 -3.743 4.501 0.00 0.00 +0.033 C ATOM 28 CG PRO A 12 11.648 -2.502 5.232 0.00 0.00 +0.021 C ATOM 29 CD PRO A 12 11.299 -1.518 4.116 0.00 0.00 +0.109 C ATOM 30 O LYS A 11 11.639 -2.609 0.751 0.00 0.00 -0.274 OA BRANCH 26 31 ATOM 31 C PRO A 12 14.247 -2.671 3.592 0.00 0.00 +0.234 C ATOM 32 N ASN A 13 15.287 -3.287 2.931 0.00 0.00 -0.302 N ATOM 33 H ASN A 13 15.104 -3.718 2.026 0.00 0.00 +0.150 HD ATOM 34 O PRO A 12 14.460 -1.787 4.418 0.00 0.00 -0.274 OA BRANCH 32 35 ATOM 35 CA ASN A 13 16.647 -2.758 3.112 0.00 0.00 +0.168 C BRANCH 35 36 ATOM 36 C ASN A 13 17.512 -3.008 1.861 0.00 0.00 +0.234 C ATOM 37 N TYR A 14 18.692 -2.303 1.850 0.00 0.00 -0.302 N ATOM 38 H TYR A 14 19.027 -1.854 2.700 0.00 0.00 +0.150 HD ATOM 39 O ASN A 13 17.142 -3.728 0.940 0.00 0.00 -0.274 OA BRANCH 37 40 ATOM 40 CA TYR A 14 19.705 -2.451 0.799 0.00 0.00 +0.163 C BRANCH 40 41 ATOM 41 C TYR A 14 20.954 -1.690 1.307 0.00 0.00 +0.234 C ATOM 42 N UNK A 15 22.095 -1.844 0.556 0.00 0.00 -0.301 N ATOM 43 H UNK A 15 22.111 -2.480 -0.233 0.00 0.00 +0.150 HD ATOM 44 O TYR A 14 20.907 -0.962 2.299 0.00 0.00 -0.274 OA BRANCH 42 45 ATOM 45 C UNK A 15 23.308 -1.092 0.860 0.00 0.00 +0.184 C BRANCH 45 46 ATOM 46 C UNK A 15 23.110 0.392 0.488 0.00 0.00 +0.236 C ATOM 47 N UNK A 15 23.878 1.272 1.218 0.00 0.00 -0.302 N ATOM 48 H UNK A 15 24.324 0.963 2.077 0.00 0.00 +0.150 HD ATOM 49 O UNK A 15 22.381 0.767 -0.430 0.00 0.00 -0.274 OA BRANCH 47 50 ATOM 50 C UNK A 15 23.743 2.719 1.055 0.00 0.00 +0.159 C BRANCH 50 51 ATOM 51 C UNK A 15 24.183 3.351 2.388 0.00 0.00 +0.231 C ATOM 52 O UNK A 15 24.929 2.781 3.181 0.00 0.00 -0.274 OA ATOM 53 N UNK A 15 23.721 4.608 2.651 0.00 0.00 -0.328 N ATOM 54 H UNK A 15 23.933 4.949 3.580 0.00 0.00 +0.145 HD ATOM 55 H UNK A 15 22.846 4.920 2.251 0.00 0.00 +0.145 HD ENDBRANCH 50 51 BRANCH 50 56 ATOM 56 C UNK A 15 24.600 3.216 -0.115 0.00 0.00 +0.041 C BRANCH 56 57 ATOM 57 C UNK A 15 24.183 4.599 -0.612 0.00 0.00 +0.098 C BRANCH 57 58 ATOM 58 C UNK A 15 24.966 5.018 -1.836 0.00 0.00 +0.211 C ATOM 59 O UNK A 15 25.844 4.353 -2.371 0.00 0.00 -0.276 OA ATOM 60 N UNK A 15 24.614 6.241 -2.332 0.00 0.00 -0.329 N ATOM 61 H UNK A 15 23.994 6.876 -1.849 0.00 0.00 +0.145 HD ATOM 62 H UNK A 15 25.138 6.584 -3.128 0.00 0.00 +0.145 HD ENDBRANCH 57 58 ENDBRANCH 56 57 ENDBRANCH 50 56 ENDBRANCH 47 50 ENDBRANCH 45 46 BRANCH 45 63 ATOM 63 C UNK A 15 24.516 -1.609 0.068 0.00 0.00 +0.187 C BRANCH 63 64 ATOM 64 O UNK A 15 24.837 -2.941 0.471 0.00 0.00 -0.393 OA ATOM 65 H UNK A 15 25.612 -3.219 -0.047 0.00 0.00 +0.209 HD ENDBRANCH 63 64 ENDBRANCH 45 63 ENDBRANCH 42 45 ENDBRANCH 40 41 BRANCH 40 66 ATOM 66 CB TYR A 14 19.229 -1.848 -0.534 0.00 0.00 +0.067 C BRANCH 66 67 ATOM 67 CG TYR A 14 19.913 -2.454 -1.734 0.00 0.00 -0.045 A ATOM 68 CD2 TYR A 14 19.663 -3.788 -2.084 0.00 0.00 +0.007 A ATOM 69 CE2 TYR A 14 20.325 -4.375 -3.165 0.00 0.00 +0.045 A ATOM 70 CZ TYR A 14 21.237 -3.623 -3.896 0.00 0.00 +0.117 A ATOM 71 CE1 TYR A 14 21.480 -2.293 -3.581 0.00 0.00 +0.045 A ATOM 72 CD1 TYR A 14 20.812 -1.703 -2.510 0.00 0.00 +0.007 A BRANCH 70 73 ATOM 73 OH TYR A 14 21.922 -4.160 -4.947 0.00 0.00 -0.507 OA ATOM 74 HH TYR A 14 21.554 -5.042 -5.130 0.00 0.00 +0.292 HD ENDBRANCH 70 73 ENDBRANCH 66 67 ENDBRANCH 40 66 ENDBRANCH 37 40 ENDBRANCH 35 36 BRANCH 35 75 ATOM 75 CB ASN A 13 17.298 -3.279 4.398 0.00 0.00 +0.127 C BRANCH 75 76 ATOM 76 CG ASN A 13 17.874 -4.661 4.232 0.00 0.00 +0.213 C ATOM 77 OD1 ASN A 13 19.042 -4.862 3.924 0.00 0.00 -0.276 OA ATOM 78 ND2 ASN A 13 17.005 -5.689 4.435 0.00 0.00 -0.329 N ATOM 79 HD21 ASN A 13 16.020 -5.547 4.600 0.00 0.00 +0.145 HD ATOM 80 HD22 ASN A 13 17.349 -6.632 4.306 0.00 0.00 +0.145 HD ENDBRANCH 75 76 ENDBRANCH 35 75 ENDBRANCH 32 35 ENDBRANCH 26 31 ENDBRANCH 23 24 BRANCH 23 81 ATOM 81 CB LYS A 11 12.072 0.643 1.003 0.00 0.00 +0.032 C BRANCH 81 82 ATOM 82 CG LYS A 11 12.982 1.020 2.173 0.00 0.00 +0.003 C BRANCH 82 83 ATOM 83 CD LYS A 11 14.017 2.095 1.809 0.00 0.00 +0.015 C BRANCH 83 84 ATOM 84 CE LYS A 11 14.945 1.754 0.641 0.00 0.00 +0.077 C BRANCH 84 85 ATOM 85 NZ LYS A 11 15.647 0.494 0.851 0.00 0.00 -0.330 NA ATOM 86 HZ1 LYS A 11 16.308 0.341 0.089 0.00 0.00 +0.118 HD ATOM 87 HZ2 LYS A 11 16.206 0.560 1.700 0.00 0.00 +0.118 HD ENDBRANCH 84 85 ENDBRANCH 83 84 ENDBRANCH 82 83 ENDBRANCH 81 82 ENDBRANCH 23 81 ENDBRANCH 20 23 ENDBRANCH 18 19 BRANCH 18 88 ATOM 88 CB ARG A 10 9.673 -0.229 -2.699 0.00 0.00 +0.033 C BRANCH 88 89 ATOM 89 CG ARG A 10 10.835 0.742 -2.972 0.00 0.00 +0.023 C BRANCH 89 90 ATOM 90 CD ARG A 10 11.608 0.355 -4.233 0.00 0.00 +0.115 C BRANCH 90 91 ATOM 91 NE ARG A 10 10.796 0.584 -5.423 0.00 0.00 -0.356 N ATOM 92 HE ARG A 10 9.808 0.743 -5.229 0.00 0.00 +0.162 HD BRANCH 91 93 ATOM 93 CZ ARG A 10 11.037 -0.030 -6.601 0.00 0.00 +0.188 C ATOM 94 NH1 ARG A 10 10.128 -0.339 -7.459 0.00 0.00 -0.269 NA ATOM 95 HH1 ARG A 10 9.218 -0.069 -7.081 0.00 0.00 +0.190 HD BRANCH 93 96 ATOM 96 NH2 ARG A 10 12.325 -0.304 -6.876 0.00 0.00 -0.370 N ATOM 97 HH21 ARG A 10 12.395 -0.641 -7.834 0.00 0.00 +0.159 HD ATOM 98 HH22 ARG A 10 12.918 0.505 -6.742 0.00 0.00 +0.159 HD ENDBRANCH 93 96 ENDBRANCH 91 93 ENDBRANCH 90 91 ENDBRANCH 89 90 ENDBRANCH 88 89 ENDBRANCH 18 88 ENDBRANCH 15 18 ENDBRANCH 13 14 BRANCH 13 99 ATOM 99 CB ASN A 9 8.205 4.455 -2.503 0.00 0.00 +0.127 C BRANCH 99 100 ATOM 100 CG ASN A 9 8.127 5.882 -2.983 0.00 0.00 +0.213 C ATOM 101 OD1 ASN A 9 7.494 6.260 -3.960 0.00 0.00 -0.276 OA ATOM 102 ND2 ASN A 9 8.856 6.768 -2.234 0.00 0.00 -0.329 N ATOM 103 HD21 ASN A 9 8.735 7.743 -2.485 0.00 0.00 +0.145 HD ATOM 104 HD22 ASN A 9 9.001 6.576 -1.253 0.00 0.00 +0.145 HD ENDBRANCH 99 100 ENDBRANCH 13 99 ENDBRANCH 10 13 ENDBRANCH 4 9 ENDBRANCH 1 2 BRANCH 1 106 ATOM 105 C SER A 6 0.877 -0.617 0.532 0.00 0.00 +0.236 C ATOM 106 N ASP A 7 2.200 -0.302 0.313 0.00 0.00 -0.302 N ATOM 107 H ASP A 7 2.603 -0.622 -0.567 0.00 0.00 +0.150 HD ATOM 108 O SER A 6 0.176 -0.063 1.376 0.00 0.00 -0.274 OA BRANCH 105 109 ATOM 109 CA SER A 6 0.326 -1.706 -0.401 0.00 0.00 +0.184 C BRANCH 109 111 ATOM 110 C PRO A 5 -1.295 -3.591 -0.267 0.00 0.00 +0.234 C ATOM 111 N SER A 6 -0.714 -2.477 0.288 0.00 0.00 -0.301 N ATOM 112 H SER A 6 -0.996 -2.168 1.215 0.00 0.00 +0.150 HD ATOM 113 O PRO A 5 -1.050 -3.953 -1.415 0.00 0.00 -0.274 OA BRANCH 110 116 ATOM 114 C LYS A 4 -3.919 -2.873 1.633 0.00 0.00 +0.237 C ATOM 115 N PRO A 5 -2.809 -3.679 1.744 0.00 0.00 -0.288 N ATOM 116 CA PRO A 5 -2.134 -4.445 0.690 0.00 0.00 +0.162 C ATOM 117 CB PRO A 5 -1.200 -5.403 1.442 0.00 0.00 +0.033 C ATOM 118 CG PRO A 5 -1.840 -5.524 2.817 0.00 0.00 +0.021 C ATOM 119 CD PRO A 5 -2.361 -4.120 3.061 0.00 0.00 +0.109 C ATOM 120 O LYS A 4 -4.481 -2.450 2.655 0.00 0.00 -0.274 OA BRANCH 114 121 ATOM 121 CA LYS A 4 -4.462 -2.430 0.240 0.00 0.00 +0.159 C BRANCH 121 123 ATOM 122 C ARG A 3 -6.104 -0.604 -0.357 0.00 0.00 +0.234 C ATOM 123 N LYS A 4 -5.482 -1.418 0.556 0.00 0.00 -0.302 N ATOM 124 H LYS A 4 -5.716 -1.344 1.540 0.00 0.00 +0.150 HD ATOM 125 O ARG A 3 -5.773 -0.535 -1.541 0.00 0.00 -0.274 OA BRANCH 122 126 ATOM 126 CA ARG A 3 -7.258 0.243 0.230 0.00 0.00 +0.159 C BRANCH 126 128 ATOM 127 C VAL A 2 -8.722 2.062 -0.575 0.00 0.00 +0.234 C ATOM 128 N ARG A 3 -7.879 1.010 -0.850 0.00 0.00 -0.302 N ATOM 129 H ARG A 3 -7.535 0.823 -1.786 0.00 0.00 +0.150 HD ATOM 130 O VAL A 2 -8.950 2.407 0.587 0.00 0.00 -0.274 OA BRANCH 127 131 ATOM 131 CA VAL A 2 -9.548 2.635 -1.754 0.00 0.00 +0.161 C BRANCH 131 133 ATOM 132 C UNK A 1 -12.024 2.558 -1.542 0.00 0.00 +0.234 C ATOM 133 N VAL A 2 -10.825 1.918 -1.765 0.00 0.00 -0.302 N ATOM 134 H VAL A 2 -10.789 0.917 -1.608 0.00 0.00 +0.150 HD ATOM 135 O UNK A 1 -12.131 3.784 -1.461 0.00 0.00 -0.274 OA BRANCH 132 136 ATOM 136 C UNK A 1 -13.256 1.623 -1.458 0.00 0.00 +0.159 C BRANCH 136 138 ATOM 137 C UNK A 1 -15.366 1.965 -0.150 0.00 0.00 +0.234 C ATOM 138 N UNK A 1 -14.363 2.439 -0.971 0.00 0.00 -0.302 N ATOM 139 H UNK A 1 -14.300 3.432 -1.175 0.00 0.00 +0.150 HD ATOM 140 O UNK A 1 -15.425 0.794 0.220 0.00 0.00 -0.274 OA BRANCH 137 141 ATOM 141 C UNK A 1 -16.445 3.029 0.189 0.00 0.00 +0.159 C BRANCH 141 142 ATOM 142 N UNK A 1 -17.613 2.424 0.810 0.00 0.00 -0.302 N ATOM 143 H UNK A 1 -17.425 2.010 1.725 0.00 0.00 +0.150 HD ATOM 144 C UNK A 1 -18.559 1.785 0.034 0.00 0.00 +0.236 C ATOM 145 O UNK A 1 -18.566 1.831 -1.198 0.00 0.00 -0.274 OA BRANCH 144 146 ATOM 146 C UNK A 1 -19.687 1.073 0.809 0.00 0.00 +0.184 C BRANCH 146 147 ATOM 147 N UNK A 1 -20.548 0.409 -0.170 0.00 0.00 -0.301 N ATOM 148 H UNK A 1 -20.244 0.465 -1.139 0.00 0.00 +0.150 HD ATOM 149 C UNK A 1 -21.778 -0.089 0.172 0.00 0.00 +0.234 C ATOM 150 O UNK A 1 -22.197 -0.079 1.329 0.00 0.00 -0.274 OA BRANCH 149 151 ATOM 151 C UNK A 1 -22.610 -0.652 -0.998 0.00 0.00 +0.159 C BRANCH 151 152 ATOM 152 N UNK A 1 -23.803 -1.288 -0.443 0.00 0.00 -0.303 N ATOM 153 H UNK A 1 -24.227 -0.789 0.334 0.00 0.00 +0.149 HD ATOM 154 C UNK A 1 -23.927 -2.664 -0.414 0.00 0.00 +0.231 C ATOM 155 O UNK A 1 -23.166 -3.416 -1.021 0.00 0.00 -0.274 OA BRANCH 154 156 ATOM 156 C UNK A 1 -25.090 -3.181 0.465 0.00 0.00 +0.140 C ATOM 157 N UNK A 1 -25.221 -4.651 0.379 0.00 0.00 -0.306 NA ATOM 158 H UNK A 1 -24.290 -5.055 0.255 0.00 0.00 +0.123 HD ATOM 159 C UNK A 1 -26.019 -4.909 -0.820 0.00 0.00 +0.081 C ATOM 160 C UNK A 1 -27.005 -3.760 -0.900 0.00 0.00 +0.017 C ATOM 161 C UNK A 1 -26.454 -2.675 0.018 0.00 0.00 +0.029 C ENDBRANCH 154 156 ENDBRANCH 151 152 BRANCH 151 162 ATOM 162 C UNK A 1 -22.973 0.385 -2.067 0.00 0.00 +0.033 C BRANCH 162 163 ATOM 163 C UNK A 1 -23.937 1.508 -1.665 0.00 0.00 +0.023 C BRANCH 163 164 ATOM 164 C UNK A 1 -23.343 2.538 -0.701 0.00 0.00 +0.115 C BRANCH 164 165 ATOM 165 N UNK A 1 -24.181 3.729 -0.670 0.00 0.00 -0.356 N ATOM 166 H UNK A 1 -24.346 4.117 -1.593 0.00 0.00 +0.162 HD BRANCH 165 167 ATOM 167 C UNK A 1 -23.957 4.692 0.251 0.00 0.00 +0.188 C ATOM 168 N UNK A 1 -23.157 4.591 1.245 0.00 0.00 -0.269 NA ATOM 169 H UNK A 1 -23.152 5.460 1.781 0.00 0.00 +0.190 HD BRANCH 167 170 ATOM 170 N UNK A 1 -24.698 5.790 0.003 0.00 0.00 -0.370 N ATOM 171 H UNK A 1 -25.616 5.554 -0.358 0.00 0.00 +0.159 HD ATOM 172 H UNK A 1 -24.778 6.425 0.783 0.00 0.00 +0.159 HD ENDBRANCH 167 170 ENDBRANCH 165 167 ENDBRANCH 164 165 ENDBRANCH 163 164 ENDBRANCH 162 163 ENDBRANCH 151 162 ENDBRANCH 149 151 ENDBRANCH 146 147 BRANCH 146 173 ATOM 173 C UNK A 1 -19.146 0.088 1.854 0.00 0.00 +0.187 C BRANCH 173 174 ATOM 174 O UNK A 1 -19.307 0.631 3.169 0.00 0.00 -0.393 OA ATOM 175 H UNK A 1 -20.272 0.638 3.341 0.00 0.00 +0.209 HD ENDBRANCH 173 174 ENDBRANCH 146 173 ENDBRANCH 144 146 ENDBRANCH 141 142 BRANCH 141 176 ATOM 176 C UNK A 1 -15.896 4.228 0.984 0.00 0.00 +0.033 C BRANCH 176 177 ATOM 177 C UNK A 1 -15.993 4.216 2.517 0.00 0.00 +0.019 C BRANCH 177 178 ATOM 178 C UNK A 1 -15.259 3.076 3.227 0.00 0.00 +0.098 C BRANCH 178 179 ATOM 179 N UNK A 1 -16.114 1.890 3.336 0.00 0.00 -0.257 NA ATOM 180 H UNK A 1 -16.944 2.136 3.893 0.00 0.00 +0.141 HD BRANCH 179 182 ATOM 181 C UNK A 1 -16.181 -0.353 4.101 0.00 0.00 +0.120 C ATOM 182 N UNK A 1 -15.367 0.859 4.038 0.00 0.00 -0.260 NA ATOM 183 H UNK A 1 -14.487 0.624 3.543 0.00 0.00 +0.140 HD ENDBRANCH 179 182 ENDBRANCH 178 179 ENDBRANCH 177 178 ENDBRANCH 176 177 ENDBRANCH 141 176 ENDBRANCH 137 141 ENDBRANCH 136 138 BRANCH 136 184 ATOM 184 C UNK A 1 -13.556 1.054 -2.858 0.00 0.00 +0.034 C BRANCH 184 185 ATOM 185 C UNK A 1 -14.666 -0.017 -2.919 0.00 0.00 -0.015 C ATOM 186 C UNK A 1 -14.247 -1.314 -2.225 0.00 0.00 +0.007 C ATOM 187 C UNK A 1 -15.026 -0.309 -4.379 0.00 0.00 +0.007 C ENDBRANCH 184 185 ENDBRANCH 136 184 ENDBRANCH 132 136 ENDBRANCH 131 133 BRANCH 131 188 ATOM 188 CB VAL A 2 -8.848 2.664 -3.132 0.00 0.00 +0.012 C ATOM 189 CG2 VAL A 2 -9.065 1.401 -3.975 0.00 0.00 +0.009 C ATOM 190 CG1 VAL A 2 -9.326 3.879 -3.940 0.00 0.00 +0.009 C ENDBRANCH 131 188 ENDBRANCH 127 131 ENDBRANCH 126 128 BRANCH 126 191 ATOM 191 CB ARG A 3 -8.311 -0.651 0.911 0.00 0.00 +0.033 C BRANCH 191 192 ATOM 192 CG ARG A 3 -8.331 -0.454 2.436 0.00 0.00 +0.023 C BRANCH 192 193 ATOM 193 CD ARG A 3 -9.393 -1.318 3.118 0.00 0.00 +0.115 C BRANCH 193 194 ATOM 194 NE ARG A 3 -10.716 -0.947 2.644 0.00 0.00 -0.356 N ATOM 195 HE ARG A 3 -10.854 0.063 2.629 0.00 0.00 +0.162 HD BRANCH 194 196 ATOM 196 CZ ARG A 3 -11.848 -1.528 3.078 0.00 0.00 +0.188 C ATOM 197 NH1 ARG A 3 -12.896 -0.820 3.297 0.00 0.00 -0.269 NA ATOM 198 HH1 ARG A 3 -13.633 -1.438 3.643 0.00 0.00 +0.190 HD BRANCH 196 199 ATOM 199 NH2 ARG A 3 -11.805 -2.860 3.251 0.00 0.00 -0.370 N ATOM 200 HH21 ARG A 3 -11.208 -3.325 2.578 0.00 0.00 +0.159 HD ATOM 201 HH22 ARG A 3 -12.710 -3.308 3.299 0.00 0.00 +0.159 HD ENDBRANCH 196 199 ENDBRANCH 194 196 ENDBRANCH 193 194 ENDBRANCH 192 193 ENDBRANCH 191 192 ENDBRANCH 126 191 ENDBRANCH 122 126 ENDBRANCH 121 123 BRANCH 121 202 ATOM 202 CB LYS A 4 -5.071 -3.543 -0.627 0.00 0.00 +0.032 C BRANCH 202 203 ATOM 203 CG LYS A 4 -6.098 -4.421 0.103 0.00 0.00 +0.003 C BRANCH 203 204 ATOM 204 CD LYS A 4 -6.743 -5.471 -0.812 0.00 0.00 +0.015 C BRANCH 204 205 ATOM 205 CE LYS A 4 -7.616 -4.912 -1.940 0.00 0.00 +0.077 C BRANCH 205 206 ATOM 206 NZ LYS A 4 -8.735 -4.128 -1.430 0.00 0.00 -0.330 NA ATOM 207 HZ1 LYS A 4 -9.328 -4.716 -0.849 0.00 0.00 +0.118 HD ATOM 208 HZ2 LYS A 4 -9.314 -3.828 -2.214 0.00 0.00 +0.118 HD ENDBRANCH 205 206 ENDBRANCH 204 205 ENDBRANCH 203 204 ENDBRANCH 202 203 ENDBRANCH 121 202 ENDBRANCH 114 121 ENDBRANCH 110 116 ENDBRANCH 109 111 BRANCH 109 209 ATOM 209 CB SER A 6 -0.167 -1.048 -1.699 0.00 0.00 +0.187 C BRANCH 209 210 ATOM 210 OG SER A 6 0.026 -1.931 -2.809 0.00 0.00 -0.393 OA ATOM 211 H SER A 6 -0.406 -2.781 -2.577 0.00 0.00 +0.209 HD ENDBRANCH 209 210 ENDBRANCH 109 209 ENDBRANCH 105 109 ENDBRANCH 1 106 BRANCH 1 212 ATOM 212 CB ASP A 7 4.128 0.692 1.502 0.00 0.00 +0.152 C BRANCH 212 213 ATOM 213 CG ASP A 7 4.524 1.878 2.328 0.00 0.00 +0.307 C ATOM 214 OD1 ASP A 7 3.937 2.203 3.355 0.00 0.00 -0.251 OA BRANCH 213 215 ATOM 215 OD2 ASP A 7 5.544 2.612 1.845 0.00 0.00 -0.481 OA ATOM 216 HD2 ASP A 7 5.876 2.403 0.935 0.00 0.00 +0.295 HD ENDBRANCH 213 215 ENDBRANCH 212 213 ENDBRANCH 1 212 TORSDOF 91